HRID2123179

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID947

Nitrogen

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID12732

1-Hexyne

C6H10

HCID81531

Diisopropylethylamine

C8H19N

HCID83717

Copper iodide (CuI2)

CuI2

HCID86653112

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCCCC#Cc1cccc(CON=C(c2ccccc2)c2nnnn2C)n1

HCID74953678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8b9e1080d90485a945c150458282fa4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]([CH2:8][O:9][N:10]=[C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[n:19][n:20][n:21][n:22]2[CH3:23])[n:7]1.[CH2:32]([N:33]([CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39])[CH3:40].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[CH:26]#[C:27][CH2:28][CH2:29][CH2:30][CH3:31].[Cu:52]([I:53])[I:54].[N:24]#[N:25].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:2]1([C:26]#[C:27][CH2:28][CH2:29][CH2:30][CH3:31])[cH:3][cH:4][cH:5][c:6]([CH2:8][O:9][N:10]=[C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:18]2[n:19][n:20][n:21][n:22]2[CH3:23])[n:7]1